(2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol

C20H25N3OS — CID 51493777

IUPAC(2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol
SMILESCc1ccsc1CN(Cc1cncn1Cc1ccccc1)C[C@@H](C)O
InChIInChI=1S/C20H25N3OS/c1-16-8-9-25-20(16)14-22(11-17(2)24)13-19-10-21-15-23(19)12-18-6-4-3-5-7-18/h3-10,15,17,24H,11-14H2,1-2H3/t17-/m1/s1
InChIKeySVOUFNSZOJISGA-QGZVFWFLSA-N
MW355.51 g/mol
LogP3.68
Rot. Bonds8

About (2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol

(2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol (PubChem CID 51493777) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is (2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol
PubChem CID51493777
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name(2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol
SMILESCc1ccsc1CN(Cc1cncn1Cc1ccccc1)C[C@@H](C)O
InChIInChI=1S/C20H25N3OS/c1-16-8-9-25-20(16)14-22(11-17(2)24)13-19-10-21-15-23(19)12-18-6-4-3-5-7-18/h3-10,15,17,24H,11-14H2,1-2H3/t17-/m1/s1
InChIKeySVOUFNSZOJISGA-QGZVFWFLSA-N
XLogP3.68
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[(3-methylthiophen-2-yl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]propan-2-ol
CID 51495185
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol
CID 43818259
(2R)-1-[(3-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-2-ol
CID 51495179
(2S)-1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol
CID 51492796
(3S,4R)-1-[(3-benzylimidazol-4-yl)methyl]-4-(3-methylthiophen-2-yl)piperidin-3-ol
CID 50954019
N-[(3-benzylimidazol-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 91830976
2-hydroxypropane-1,2,3-tricarboxylic acid;1-[(2-methylsulfanylpyrimidin-5-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol
CID 171700553
(2R)-1-[(1-benzylpyrrol-2-yl)methyl-prop-2-enylamino]propan-2-ol
CID 7338461
(3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane
CID 14410060
1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-(4-phenylbutan-2-yl)urea
CID 16573326
1-benzyl-5-butylimidazole
CID 10059100
N-benzyl-2-[dimethylcarbamoyl(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4670444

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol (CID 51493777) is (2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol is Cc1ccsc1CN(Cc1cncn1Cc1ccccc1)C[C@@H](C)O.
What is the InChIKey of (2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The InChIKey is SVOUFNSZOJISGA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-16-8-9-25-20(16)14-22(11-17(2)24)13-19-10-21-15-23(19)12-18-6-4-3-5-7-18/h3-10,15,17,24H,11-14H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol?
(2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol has a molecular weight of 355.51 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 51493777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).